Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Quantum Crystallographic Quest for New Polymorphic Forms of Ice and Hydrates

2021/41/B/ST4/03010

Keywords:

Quantum Crystallography ice polimorphs experimental charge density studies Hirshfeld atom refinement HAR refinement using new HAR TAAM refinement wave function refinement XWR hydrates high pressure studies Diamond Anvil Cell DAC wide opening angle DAC high resolution X-ray diffraction studies synchrotron investigations temperature studies

Descriptors:

  • ST4_003:
  • ST5_001:
  • ST3_001:

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Krzysztof Woźniak 

Number of co-investigators in the project: 6

Call: OPUS 21 - announced on 2021-03-15

Amount awarded: 3 978 400 PLN

Project start date (Y-m-d): 2022-03-01

Project end date (Y-m-d): 2026-02-28

Project duration:: 48 months (the same as in the proposal)

Project status: Pending project

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Information in the final report

  • Publication in academic press/journals (2)
  • Articles in post-conference publications (2)
  1. Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
    Authors:
    Michal L. Chodkiewicz, Roman Gajda, Barbara Lavina, Sergey Tkachev, Vitali B. Prakapenka, Przemyslaw Dera and Krzysztof Wozniak *
    Academic press:
    IUCRJ (rok: 2022, tom: 9, strony: 573-579), Wydawca: IUCr Journals
    Status:
    Published
    DOI:
    10.1107/S2052252522006662 - link to the publication
  2. Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
    Authors:
    Michal L. Chodkiewicz, Roman Gajda, Barbara Lavina, Sergey Tkachev, Vitali B. Prakapenka, Przemyslaw Dera and Krzysztof Wozniak *
    Academic press:
    IUCRJ (rok: 2022, tom: 9, strony: 573-579), Wydawca: IUCr Journals
    Status:
    Published
    DOI:
    10.1107/S2052252522006662 - link to the publication
  1. Accurate crystal structure of Ice VI from X-ray diffraction with HAR
    Authors:
    M. L. Chodkiewicz, R. Gajda, K. Wozniak
    Conference:
    Abstracts of the 33rd European Crystallography Meeting Versailles, France, 23-27 August 2022 (rok: 2022, tom: 33rd European Crystallography Meeting, strony: e106), Wydawca: IUCR
    Data:
    konferencja 23-27 August 2022
    Status:
    Published
    DOI:
    10.1107/S205327332209578X - link to the publication
  2. Accurate crystal structures of ices from X-ray and ED with Hirshfeld atom refinement
    Authors:
    K. Wozniak, M. Chodkiewicz, R. Gajda, V. B. Prakapenka and P. Dera
    Conference:
    Abstracts of the 2023 American Crystallographic Association Meeting Baltimore, Maryland, USA, 7 - 11 July 2023 (rok: 2023, tom: 2023 American Crystallographic Association Meeting Baltimore, Maryland, USA,, strony: a189), Wydawca: IUCR
    Data:
    konferencja 7 - 11 July 2023
    Status:
    Published
    DOI:
    10.1107/S2053273323098108 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy